(4R)-4-amino-4-(4-phenoxyphenyl)butanoic acid

C16H17NO3 — CID 28744353

IUPAC(4R)-4-amino-4-(4-phenoxyphenyl)butanoic acid
SMILESN[C@H](CCC(=O)O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C16H17NO3/c17-15(10-11-16(18)19)12-6-8-14(9-7-12)20-13-4-2-1-3-5-13/h1-9,15H,10-11,17H2,(H,18,19)/t15-/m1/s1
InChIKeyGFFTXTJJMYDBBN-OAHLLOKOSA-N
MW271.32 g/mol
LogP3.34
Rot. Bonds6

About (4R)-4-amino-4-(4-phenoxyphenyl)butanoic acid

(4R)-4-amino-4-(4-phenoxyphenyl)butanoic acid (PubChem CID 28744353) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is (4R)-4-amino-4-(4-phenoxyphenyl)butanoic acid.

Molecular Properties

Compound Name(4R)-4-amino-4-(4-phenoxyphenyl)butanoic acid
PubChem CID28744353
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name(4R)-4-amino-4-(4-phenoxyphenyl)butanoic acid
SMILESN[C@H](CCC(=O)O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C16H17NO3/c17-15(10-11-16(18)19)12-6-8-14(9-7-12)20-13-4-2-1-3-5-13/h1-9,15H,10-11,17H2,(H,18,19)/t15-/m1/s1
InChIKeyGFFTXTJJMYDBBN-OAHLLOKOSA-N
XLogP3.34
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-4-(4-phenoxyphenyl)butanoic acid
CID 43209399
4-amino-4-(4-methoxyphenyl)butanoic acid;hydrochloride
CID 71757574
4-amino-4-[4-(difluoromethoxy)phenyl]butanoic acid
CID 117364214
methyl (3S)-3-amino-3-(4-phenoxyphenyl)propanoate
CID 171242566
(1R)-1-(4-phenoxyphenyl)hexan-1-amine
CID 28979758
2-amino-2-(4-phenoxyphenyl)ethanethiol
CID 116830487
methyl (3R)-3-amino-3-(4-phenoxyphenyl)propanoate;hydrochloride
CID 171249296
(4R)-4-amino-4-(4-tert-butylphenyl)butanoic acid
CID 28744369
4-amino-4-[4-(methoxymethyl)phenyl]butanoic acid
CID 117319626
4-amino-4-[4-(1-methylazetidin-3-yl)oxyphenyl]butanoic acid
CID 117415418
3-(4-phenoxyphenyl)pentanedioic acid
CID 170564926
4-amino-4-[4-(oxan-4-yloxy)phenyl]butanoic acid
CID 117447904

Frequently Asked Questions

What is the IUPAC name of (4R)-4-amino-4-(4-phenoxyphenyl)butanoic acid?
The IUPAC name of (4R)-4-amino-4-(4-phenoxyphenyl)butanoic acid (CID 28744353) is (4R)-4-amino-4-(4-phenoxyphenyl)butanoic acid.
What is the SMILES notation for (4R)-4-amino-4-(4-phenoxyphenyl)butanoic acid?
The canonical SMILES for (4R)-4-amino-4-(4-phenoxyphenyl)butanoic acid is N[C@H](CCC(=O)O)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of (4R)-4-amino-4-(4-phenoxyphenyl)butanoic acid?
The InChIKey is GFFTXTJJMYDBBN-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H17NO3/c17-15(10-11-16(18)19)12-6-8-14(9-7-12)20-13-4-2-1-3-5-13/h1-9,15H,10-11,17H2,(H,18,19)/t15-/m1/s1.
What are the key properties of (4R)-4-amino-4-(4-phenoxyphenyl)butanoic acid?
(4R)-4-amino-4-(4-phenoxyphenyl)butanoic acid has a molecular weight of 271.32 g/mol, XLogP of 3.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-amino-4-(4-phenoxyphenyl)butanoic acid is sourced from PubChem (CID 28744353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).